SCHEMBL15056282

SCHEMBL15056282

Cc1c2ccccc2[n+](CCC(=O)OCc2ccccc2)c2cccc(OS(=O)(=O)C(F)(F)F)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
EDNRA P25101 1/20 0.32
SLC15A1 P46059 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ACHE P22303 1/20 0.31
PTGER1 P34995 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15056762 0.84 LMNA (0.36) LMNAMAPK1L3MBTL1MAPTALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL15056280 0.83 LMNA (0.46) LMNAMAPK1L3MBTL1MAPTALDH1A1
SCHEMBL15079144 0.81 ALDH1A1 (0.46) LMNAMAPK1L3MBTL1MAPTALDH1A1
SCHEMBL7660920 0.66 KMT2A (0.49) L3MBTL1ALDH1A1TDP1CA1CA2
SCHEMBL591400 0.65 MAPT (0.46) MAPK1L3MBTL1MAPTTDP1
SCHEMBL10918084 0.65 ALDH1A1 (0.50) LMNAMAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL23291943 0.65 DRD2 (0.32)
Iodide SCHEMBL7051296 0.65 RXRA (0.37) LMNAMAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL3454716 0.64 DRD2 (0.38) MEN1KMT2A
SCHEMBL23291901 0.64

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349297-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2014-11-27 US disclosed
EP-2795324-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES Almac Sciences (Scotland) Limited (GB) 2014-10-29 EP disclosed
WO-2013093481-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2013-06-27 WO disclosed